[(1S,2S)-2-tert-butylcyclohexyl]azanium

C10H22N+ — CID 7740789

IUPAC[(1S,2S)-2-tert-butylcyclohexyl]azanium
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1[NH3+]
InChIInChI=1S/C10H21N/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9H,4-7,11H2,1-3H3/p+1/t8-,9+/m1/s1
InChIKeyGEYTUFUSXAMSQK-BDAKNGLRSA-O
MW156.29 g/mol
LogP1.83
Rot. Bonds

About [(1S,2S)-2-tert-butylcyclohexyl]azanium

[(1S,2S)-2-tert-butylcyclohexyl]azanium (PubChem CID 7740789) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is [(1S,2S)-2-tert-butylcyclohexyl]azanium.

Molecular Properties

Compound Name[(1S,2S)-2-tert-butylcyclohexyl]azanium
PubChem CID7740789
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name[(1S,2S)-2-tert-butylcyclohexyl]azanium
SMILESCC(C)(C)[C@@H]1CCCC[C@@H]1[NH3+]
InChIInChI=1S/C10H21N/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9H,4-7,11H2,1-3H3/p+1/t8-,9+/m1/s1
InChIKeyGEYTUFUSXAMSQK-BDAKNGLRSA-O
XLogP1.83
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
2-tert-butylcyclohexan-1-amine;methane
CID 158774532
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
CID 11788705
1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
trans-(1S,2R)-2-tert-butyl-N,N-dimethylcyclohexan-1-amine
CID 58431838
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
(2-tert-butylcyclohexyl)oxyphosphinite
CID 102484374
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
[(1R,2R)-2-azaniumylcyclohexyl]azanium;chromium(6+);tetrakis(oxygen(2-))
CID 139088241

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-tert-butylcyclohexyl]azanium?
The IUPAC name of [(1S,2S)-2-tert-butylcyclohexyl]azanium (CID 7740789) is [(1S,2S)-2-tert-butylcyclohexyl]azanium.
What is the SMILES notation for [(1S,2S)-2-tert-butylcyclohexyl]azanium?
The canonical SMILES for [(1S,2S)-2-tert-butylcyclohexyl]azanium is CC(C)(C)[C@@H]1CCCC[C@@H]1[NH3+].
What is the InChIKey of [(1S,2S)-2-tert-butylcyclohexyl]azanium?
The InChIKey is GEYTUFUSXAMSQK-BDAKNGLRSA-O. The full InChI is InChI=1S/C10H21N/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9H,4-7,11H2,1-3H3/p+1/t8-,9+/m1/s1.
What are the key properties of [(1S,2S)-2-tert-butylcyclohexyl]azanium?
[(1S,2S)-2-tert-butylcyclohexyl]azanium has a molecular weight of 156.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-tert-butylcyclohexyl]azanium is sourced from PubChem (CID 7740789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).